. Author manuscript; available in PMC: 2014 Jun 24.

Published in final edited form as: J Chem Inf Model. 2013 May 21;53(6):1337–1349. doi: 10.1021/ci400160x

Table 2.

Cosine of the angle between the force and reference vectors at the four constrained α-carbons in the closed LBR of mGluR1 (Figure 2) in the presence of various ligands. Results for the force vector, F_x, for residues x, S186, D318, W110 and G293 with respect to the reference vector (F_x^ref) (see, Figure 2) are presented.

	S186	D318	W110	G293	LBR
Glu	−0.3	0.7	−0.6	1	Close
Empty	−0.5	−0.9	−0.4	−0.6	Open
DHPG	0.6	−0.7	0.4	0.4	Close
ACPT-II	−0.9	0.4	−1	−0.4	Open
C3H2MPG(1)	−0.4	0.5	0	1	Close
C3H2MPG(2)	−0.5	0	−0.8	−1	Open
HOMQ	0.6	−0.5	0.1	−1	Open
C3HPG(1)	0.4	−0.7	0.9	−0.8	Close
4C3HPG(2)	0.1	0.6	−0.6	−0.1	Open